N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H26N4O3S/c1-28-20-23-22-18(24(20)14-7-2-3-8-14)11-6-12-21-19(25)17-13-26-15-9-4-5-10-16(15)27-17/h4-5,9-10,14,17H,2-3,6-8,11-13H2,1H3,(H,21,25)